BAS 03542827
TL;DR: BAS 03542827 (CAS 40277-45-0) is a chemical compound with molecular formula C13H14N2OS and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: BAS 03542827, 4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 3-Allyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one, 3-Allyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C13H14N2OS |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 2.5228 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.08269 |
| Heavy Atoms | 17 |
| Complexity | 638.6423 |
Chemical Identifiers
| CAS Number | 40277-45-0 |
|---|---|
| SMILES | C=CCN1C=NC2=C(C1=O)C3=C(S2)CCCC3 |
Product Overview
BAS 03542827 (CAS 40277-45-0), with molecular formula C13H14N2OS and molecular weight 246.08 g/mol. IUPAC: 3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of BAS 03542827
Property Insights of BAS 03542827
The XLogP value of 2.5228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03542827. With a topological polar surface area (TPSA) of 34.89 Ų, BAS 03542827 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03542827 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 03542827?
The CAS number of BAS 03542827 is 40277-45-0.
What is the molecular formula of BAS 03542827?
The molecular formula of BAS 03542827 is C13H14N2OS.
What is the molecular weight of BAS 03542827?
The molecular weight of BAS 03542827 is 246.08 g/mol.
Where can I buy BAS 03542827?
You can request a quote for BAS 03542827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03542827?
Yes, KEHONG BIO provides custom synthesis services for BAS 03542827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.